Deep operator network (DeepONet) has demonstrated great success in various learning tasks, including learning solution operators of partial differential equations. In particular, it provides an efficient approach to predict the evolution equations in a finite time horizon. Nevertheless, the vanilla DeepONet suffers from the issue of stability degradation in the long-time prediction. This paper proposes a {\em transfer-learning} aided DeepONet to enhance the stability. Our idea is to use transfer learning to sequentially update the DeepONets as the surrogates for propagators learned in different time frames. The evolving DeepONets can better track the varying complexities of the evolution equations, while only need to be updated by efficient training of a tiny fraction of the operator networks. Through systematic experiments, we show that the proposed method not only improves the long-time accuracy of DeepONet while maintaining similar computational cost but also substantially reduces the sample size of the training set.
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Recent years have witnessed a growth in mathematics for deep learning--which seeks a deeper understanding of the concepts of deep learning with mathematics, and explores how to make it more robust--and deep learning for mathematics, where deep learning algorithms are used to solve problems in mathematics. The latter has popularised the field of scientific machine learning where deep learning is applied to problems in scientific computing. Specifically, more and more neural network architectures have been developed to solve specific classes of partial differential equations (PDEs). Such methods exploit properties that are inherent to PDEs and thus solve the PDEs better than classical feed-forward neural networks, recurrent neural networks, and convolutional neural networks. This has had a great impact in the area of mathematical modeling where parametric PDEs are widely used to model most natural and physical processes arising in science and engineering, In this work, we review such methods and extend them for parametric studies as well as for solving the related inverse problems. We equally proceed to show their relevance in some industrial applications.
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标准的神经网络可以近似一般的非线性操作员,要么通过数学运算符的组合(例如,在对流 - 扩散反应部分微分方程中)的组合,要么仅仅是黑匣子,例如黑匣子,例如一个系统系统。第一个神经操作员是基于严格的近似理论于2019年提出的深层操作员网络(DeepOnet)。从那时起,已经发布了其他一些较少的一般操作员,例如,基于图神经网络或傅立叶变换。对于黑匣子系统,对神经操作员的培训仅是数据驱动的,但是如果知道管理方程式可以在培训期间将其纳入损失功能,以开发物理知识的神经操作员。神经操作员可以用作设计问题,不确定性量化,自主系统以及几乎任何需要实时推断的应用程序中的代替代物。此外,通过将它们与相对轻的训练耦合,可以将独立的预训练deponets用作复杂多物理系统的组成部分。在这里,我们介绍了Deponet,傅立叶神经操作员和图神经操作员的评论,以及适当的扩展功能扩展,并突出显示它们在计算机械师中的各种应用中的实用性,包括多孔媒体,流体力学和固体机制, 。
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部分微分方程通常用于模拟各种物理现象,例如热扩散,波传播,流体动力学,弹性,电动力学和图像处理,并且已经开发了许多分析方法或传统的数值方法并广泛用于其溶液。受深度学习对科学和工程研究的迅速影响的启发,在本文中,我们提出了一个新型的神经网络GF-NET,以无监督的方式学习绿色的线性反应扩散方程的功能。所提出的方法克服了通过使用物理信息的方法和绿色功能的对称性来查找任意域上方程函数的挑战。结果,它尤其导致了在不同边界条件和来源下解决目标方程的有效方法。我们还通过正方形,环形和L形域中的实验证明了所提出的方法的有效性。
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物理信息的神经网络(PINN)是神经网络(NNS),它们作为神经网络本身的组成部分编码模型方程,例如部分微分方程(PDE)。如今,PINN是用于求解PDE,分数方程,积分分化方程和随机PDE的。这种新颖的方法已成为一个多任务学习框架,在该框架中,NN必须在减少PDE残差的同时拟合观察到的数据。本文对PINNS的文献进行了全面的综述:虽然该研究的主要目标是表征这些网络及其相关的优势和缺点。该综述还试图将出版物纳入更广泛的基于搭配的物理知识的神经网络,这些神经网络构成了香草·皮恩(Vanilla Pinn)以及许多其他变体,例如物理受限的神经网络(PCNN),各种HP-VPINN,变量HP-VPINN,VPINN,VPINN,变体。和保守的Pinn(CPINN)。该研究表明,大多数研究都集中在通过不同的激活功能,梯度优化技术,神经网络结构和损耗功能结构来定制PINN。尽管使用PINN的应用范围广泛,但通过证明其在某些情况下比有限元方法(FEM)等经典数值技术更可行的能力,但仍有可能的进步,最著名的是尚未解决的理论问题。
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Deep learning has achieved remarkable success in diverse applications; however, its use in solving partial differential equations (PDEs) has emerged only recently. Here, we present an overview of physics-informed neural networks (PINNs), which embed a PDE into the loss of the neural network using automatic differentiation. The PINN algorithm is simple, and it can be applied to different types of PDEs, including integro-differential equations, fractional PDEs, and stochastic PDEs. Moreover, from the implementation point of view, PINNs solve inverse problems as easily as forward problems. We propose a new residual-based adaptive refinement (RAR) method to improve the training efficiency of PINNs. For pedagogical reasons, we compare the PINN algorithm to a standard finite element method. We also present a Python library for PINNs, DeepXDE, which is designed to serve both as an education tool to be used in the classroom as well as a research tool for solving problems in computational science and engineering. Specifically, DeepXDE can solve forward problems given initial and boundary conditions, as well as inverse problems given some extra measurements. DeepXDE supports complex-geometry domains based on the technique of constructive solid geometry, and enables the user code to be compact, resembling closely the mathematical formulation. We introduce the usage of DeepXDE and its customizability, and we also demonstrate the capability of PINNs and the user-friendliness of DeepXDE for five different examples. More broadly, DeepXDE contributes to the more rapid development of the emerging Scientific Machine Learning field.
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光谱方法是求解部分微分方程(PDE)的科学计算的武器的重要组成部分。然而,它们的适用性和有效性在很大程度上取决于用于扩展PDE溶液的基础函数的选择。过去十年已经看到,在提供复杂职能的有效陈述方面,深入学习的出现是强烈的竞争者。在目前的工作中,我们提出了一种用谱方法结合深神经网络来解决PDE的方法。特别是,我们使用称为深度操作系统网络(DeepOnet)的深度学习技术,以识别扩展PDE解决方案的候选功能。我们已经设计了一种方法,该方法使用DeepOnet提供的候选功能作为构建具有以下属性的一组功能的起点:i)它们构成基础,2)它们是正常的,3)它们是等级的,类似于傅里叶系列或正交多项式。我们利用了我们定制的基础函数的有利属性,以研究其近似能力,并使用它们来扩展线性和非线性时间依赖性PDE的解决方案。
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Deep neural operators can learn nonlinear mappings between infinite-dimensional function spaces via deep neural networks. As promising surrogate solvers of partial differential equations (PDEs) for real-time prediction, deep neural operators such as deep operator networks (DeepONets) provide a new simulation paradigm in science and engineering. Pure data-driven neural operators and deep learning models, in general, are usually limited to interpolation scenarios, where new predictions utilize inputs within the support of the training set. However, in the inference stage of real-world applications, the input may lie outside the support, i.e., extrapolation is required, which may result to large errors and unavoidable failure of deep learning models. Here, we address this challenge of extrapolation for deep neural operators. First, we systematically investigate the extrapolation behavior of DeepONets by quantifying the extrapolation complexity via the 2-Wasserstein distance between two function spaces and propose a new behavior of bias-variance trade-off for extrapolation with respect to model capacity. Subsequently, we develop a complete workflow, including extrapolation determination, and we propose five reliable learning methods that guarantee a safe prediction under extrapolation by requiring additional information -- the governing PDEs of the system or sparse new observations. The proposed methods are based on either fine-tuning a pre-trained DeepONet or multifidelity learning. We demonstrate the effectiveness of the proposed framework for various types of parametric PDEs. Our systematic comparisons provide practical guidelines for selecting a proper extrapolation method depending on the available information, desired accuracy, and required inference speed.
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动力系统的演变通常由非线性偏微分方程(PDE)控制,在模拟框架中,其解决方案需要大量的计算资源。在这项工作中,我们提出了一种新颖的方法,该方法将超网络求解器与傅立叶神经操作员体系结构相结合。我们的方法分别处理时间和空间。结果,它通过采用部分差分运算符的一般组成特性,成功地在连续时间步骤中成功传播了初始条件。在先前的工作之后,在特定时间点提供监督。我们在各个时间演化PDE上测试我们的方法,包括一个,两个和三个空间维度中的非线性流体流。结果表明,新方法在监督点的时间点提高了学习准确性,并能够插入和解决任何中间时间的解决方案。
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机器学习方法最近在求解部分微分方程(PDE)中的承诺。它们可以分为两种广泛类别:近似解决方案功能并学习解决方案操作员。物理知识的神经网络(PINN)是前者的示例,而傅里叶神经操作员(FNO)是后者的示例。这两种方法都有缺点。 Pinn的优化是具有挑战性,易于发生故障,尤其是在多尺度动态系统上。 FNO不会遭受这种优化问题,因为它在给定的数据集上执行了监督学习,但获取此类数据可能太昂贵或无法使用。在这项工作中,我们提出了物理知识的神经运营商(Pino),在那里我们结合了操作学习和功能优化框架。这种综合方法可以提高PINN和FNO模型的收敛速度和准确性。在操作员学习阶段,Pino在参数PDE系列的多个实例上学习解决方案操作员。在测试时间优化阶段,Pino优化预先训练的操作员ANSATZ,用于PDE的查询实例。实验显示Pino优于许多流行的PDE家族的先前ML方法,同时保留与求解器相比FNO的非凡速度。特别是,Pino准确地解决了挑战的长时间瞬态流量,而其他基线ML方法无法收敛的Kolmogorov流程。
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Discovering governing equations of a physical system, represented by partial differential equations (PDEs), from data is a central challenge in a variety of areas of science and engineering. Current methods require either some prior knowledge (e.g., candidate PDE terms) to discover the PDE form, or a large dataset to learn a surrogate model of the PDE solution operator. Here, we propose the first solution operator learning method that only needs one PDE solution, i.e., one-shot learning. We first decompose the entire computational domain into small domains, where we learn a local solution operator, and then we find the coupled solution via either mesh-based fixed-point iteration or meshfree local-solution-operator informed neural networks. We demonstrate the effectiveness of our method on different PDEs, and our method exhibits a strong generalization property.
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神经网络的经典发展主要集中在有限维欧基德空间或有限组之间的学习映射。我们提出了神经网络的概括,以学习映射无限尺寸函数空间之间的运算符。我们通过一类线性积分运算符和非线性激活函数的组成制定运营商的近似,使得组合的操作员可以近似复杂的非线性运算符。我们证明了我们建筑的普遍近似定理。此外,我们介绍了四类运算符参数化:基于图形的运算符,低秩运算符,基于多极图形的运算符和傅里叶运算符,并描述了每个用于用每个计算的高效算法。所提出的神经运营商是决议不变的:它们在底层函数空间的不同离散化之间共享相同的网络参数,并且可以用于零击超分辨率。在数值上,与现有的基于机器学习的方法,达西流程和Navier-Stokes方程相比,所提出的模型显示出卓越的性能,而与传统的PDE求解器相比,与现有的基于机器学习的方法有关的基于机器学习的方法。
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随着计算能力的增加和机器学习的进步,基于数据驱动的学习方法在解决PDE方面引起了极大的关注。物理知识的神经网络(PINN)最近出现并成功地在各种前进和逆PDES问题中取得了成功,其优异的特性,例如灵活性,无网格解决方案和无监督的培训。但是,它们的收敛速度较慢和相对不准确的解决方案通常会限制其在许多科学和工程领域中的更广泛适用性。本文提出了一种新型的数据驱动的PDES求解器,物理知识的细胞表示(Pixel),优雅地结合了经典数值方法和基于学习的方法。我们采用来自数值方法的网格结构,以提高准确性和收敛速度并克服PINN中呈现的光谱偏差。此外,所提出的方法在PINN中具有相同的好处,例如,使用相同的优化框架来解决前进和逆PDE问题,并很容易通过现代自动分化技术强制执行PDE约束。我们为原始Pinn所努力的各种具有挑战性的PDE提供了实验结果,并表明像素达到了快速收敛速度和高精度。
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众所周知,混乱的系统对预测的挑战是挑战,因为它们对时间的敏感性和由于阶梯时间而引起的错误和错误。尽管这种不可预测的行为,但对于许多耗散系统,长期轨迹的统计数据仍受到一套被称为全球吸引子的不变措施的管辖。对于许多问题,即使状态空间是无限的维度,该集合是有限维度的。对于马尔可夫系统,长期轨迹的统计特性由解决方案操作员唯一确定,该解决方案操作员将系统的演变映射到任意正时间增量上。在这项工作中,我们提出了一个机器学习框架,以学习耗散混沌系统的基础解决方案操作员,这表明所得的学习操作员准确地捕获了短期轨迹和长期统计行为。使用此框架,我们能够预测湍流Kolmogorov流动动力学的各种统计数据,雷诺数为5000。
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Neural networks, especially the recent proposed neural operator models, are increasingly being used to find the solution operator of differential equations. Compared to traditional numerical solvers, they are much faster and more efficient in practical applications. However, one critical issue is that training neural operator models require large amount of ground truth data, which usually comes from the slow numerical solvers. In this paper, we propose a physics-guided data augmentation (PGDA) method to improve the accuracy and generalization of neural operator models. Training data is augmented naturally through the physical properties of differential equations such as linearity and translation. We demonstrate the advantage of PGDA on a variety of linear differential equations, showing that PGDA can improve the sample complexity and is robust to distributional shift.
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Deep neural networks (DNNs) recently emerged as a promising tool for analyzing and solving complex differential equations arising in science and engineering applications. Alternative to traditional numerical schemes, learning-based solvers utilize the representation power of DNNs to approximate the input-output relations in an automated manner. However, the lack of physics-in-the-loop often makes it difficult to construct a neural network solver that simultaneously achieves high accuracy, low computational burden, and interpretability. In this work, focusing on a class of evolutionary PDEs characterized by having decomposable operators, we show that the classical ``operator splitting'' numerical scheme of solving these equations can be exploited to design neural network architectures. This gives rise to a learning-based PDE solver, which we name Deep Operator-Splitting Network (DOSnet). Such non-black-box network design is constructed from the physical rules and operators governing the underlying dynamics contains learnable parameters, and is thus more flexible than the standard operator splitting scheme. Once trained, it enables the fast solution of the same type of PDEs. To validate the special structure inside DOSnet, we take the linear PDEs as the benchmark and give the mathematical explanation for the weight behavior. Furthermore, to demonstrate the advantages of our new AI-enhanced PDE solver, we train and validate it on several types of operator-decomposable differential equations. We also apply DOSnet to nonlinear Schr\"odinger equations (NLSE) which have important applications in the signal processing for modern optical fiber transmission systems, and experimental results show that our model has better accuracy and lower computational complexity than numerical schemes and the baseline DNNs.
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机器学习方法最近已用于求解微分方程和动态系统。这些方法已发展为一个新型的研究领域,称为科学机器学习,其中深层神经网络和统计学习等技术应用于应用数学的经典问题。由于神经网络提供了近似能力,因此在求解各种偏微分方程(PDE)时,通过机器学习和优化方法通过机器学习和优化方法实现了明显的性能。在本文中,我们开发了一种新颖的数值算法,该算法结合了机器学习和人工智能来解决PDE。特别是,我们基于Legendre-Galerkin神经网络提出了一种无监督的机器学习算法,以找到与不同类型PDE的解决方案的准确近似值。提出的神经网络应用于一般的1D和2D PDE,以及具有边界层行为的奇异扰动PDE。
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Boundary conditions (BCs) are important groups of physics-enforced constraints that are necessary for solutions of Partial Differential Equations (PDEs) to satisfy at specific spatial locations. These constraints carry important physical meaning, and guarantee the existence and the uniqueness of the PDE solution. Current neural-network based approaches that aim to solve PDEs rely only on training data to help the model learn BCs implicitly. There is no guarantee of BC satisfaction by these models during evaluation. In this work, we propose Boundary enforcing Operator Network (BOON) that enables the BC satisfaction of neural operators by making structural changes to the operator kernel. We provide our refinement procedure, and demonstrate the satisfaction of physics-based BCs, e.g. Dirichlet, Neumann, and periodic by the solutions obtained by BOON. Numerical experiments based on multiple PDEs with a wide variety of applications indicate that the proposed approach ensures satisfaction of BCs, and leads to more accurate solutions over the entire domain. The proposed correction method exhibits a (2X-20X) improvement over a given operator model in relative $L^2$ error (0.000084 relative $L^2$ error for Burgers' equation).
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Optimal Transport(OT)提供了一个多功能框架,以几何有意义的方式比较复杂的数据分布。计算Wasserstein距离和概率措施之间的大地测量方法的传统方法需要网络依赖性域离散化,并且受差异性的诅咒。我们提出了Geonet,这是一个网状不变的深神经操作员网络,该网络从输入对的初始和终端分布对到Wasserstein Geodesic连接两个端点分布的非线性映射。在离线训练阶段,Geonet了解了以耦合PDE系统为特征的原始和双空间中OT问题动态提出的鞍点最佳条件。随后的推理阶段是瞬时的,可以在在线学习环境中进行实时预测。我们证明,Geonet在模拟示例和CIFAR-10数据集上达到了与标准OT求解器的可比测试精度,其推断阶段计算成本大大降低了。
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Physics-informed neural networks (PINNs) have lately received significant attention as a representative deep learning-based technique for solving partial differential equations (PDEs). Most fully connected network-based PINNs use automatic differentiation to construct loss functions that suffer from slow convergence and difficult boundary enforcement. In addition, although convolutional neural network (CNN)-based PINNs can significantly improve training efficiency, CNNs have difficulty in dealing with irregular geometries with unstructured meshes. Therefore, we propose a novel framework based on graph neural networks (GNNs) and radial basis function finite difference (RBF-FD). We introduce GNNs into physics-informed learning to better handle irregular domains with unstructured meshes. RBF-FD is used to construct a high-precision difference format of the differential equations to guide model training. Finally, we perform numerical experiments on Poisson and wave equations on irregular domains. We illustrate the generalizability, accuracy, and efficiency of the proposed algorithms on different PDE parameters, numbers of collection points, and several types of RBFs.
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